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4-Bromo-2,5-dimethoxytoluene

4-Bromo-2,5-dimethoxytoluene - CAS 13321-74-9

Catalog:	BB007707
Product Name:	4-Bromo-2,5-dimethoxytoluene
CAS:	13321-74-9
Synonyms:	1-bromo-2,5-dimethoxy-4-methylbenzene; 1-bromo-2,5-dimethoxy-4-methylbenzene

Technical Data

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Computed Properties

IUPAC Name:	1-bromo-2,5-dimethoxy-4-methylbenzene
Description:	4-Bromo-2,5-dimethoxytoluene (CAS# 13321-74-9) is a useful research chemical.
Molecular Weight:	231.09
Molecular Formula:	C9H11BrO2
Canonical SMILES:	CC1=CC(=C(C=C1OC)Br)OC
InChI:	InChI=1S/C9H11BrO2/c1-6-4-9(12-3)7(10)5-8(6)11-2/h4-5H,1-3H3
InChI Key:	YDRBZEYUYXQONG-UHFFFAOYSA-N
Boiling Point:	270.4 °C at 760 mmHg
Density:	1.36 g/cm³
Storage:	Sealed in dry, Room Temperature
LogP:	2.77470

Publication Number	Title	Priority Date
US-2021137908-A1	5-ht2a agonists for use in treatment of depression	20191107
US-2021330658-A1	5-ht2a agonists for use in treatment of depression	20191107
KR-102147671-B1	A composition for treating or preventing endothelin mediated disease	20190129
KR-20200093763-A	A composition for treating or preventing endothelin mediated disease	20190129
WO-2014188115-A1	Method for detecting, capturing and/or releasing chemical elements	20130520

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	141
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.99424
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	229.99424
Rotatable Bond Count:	2
Topological Polar Surface Area:	18.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2